3-Nitro-4-propylaniline
TL;DR: 3-Nitro-4-propylaniline (CAS 42411-95-0) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-propylaniline
Also Known As: 3-nitro-4-propylaniline, 3-nitro-4-propyl-aniline, 4-Propyl-3-nitroaniline, 3-nitro-4-propylphenylamine, Benzenamine, 3-nitro-4-propyl-
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 2.1295 |
| Topological Polar Surface Area | 69.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 323.39078 |
Chemical Identifiers
| CAS Number | 42411-95-0 |
|---|---|
| SMILES | CCCC1=C(C=C(C=C1)N)[N+](=O)[O-] |
Product Overview
3-Nitro-4-propylaniline (CAS 42411-95-0), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: 3-nitro-4-propylaniline.
Chemical Property Profile of 3-Nitro-4-propylaniline
Property Insights of 3-Nitro-4-propylaniline
The XLogP value of 2.1295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-propylaniline. The TPSA of 69.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-propylaniline. Following Lipinski's Rule of Five, 3-Nitro-4-propylaniline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitro-4-propylaniline?
The CAS number of 3-Nitro-4-propylaniline is 42411-95-0.
What is the molecular formula of 3-Nitro-4-propylaniline?
The molecular formula of 3-Nitro-4-propylaniline is C9H12N2O2.
What is the molecular weight of 3-Nitro-4-propylaniline?
The molecular weight of 3-Nitro-4-propylaniline is 180.09 g/mol.
Where can I buy 3-Nitro-4-propylaniline?
You can request a quote for 3-Nitro-4-propylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-propylaniline?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-propylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.